* LIGAND DATABASE FILE (OPLS2005)
*
001      80    83    147    246     445
    1     0 S   NP   _N1_     1    28.76965    97.39416   -23.73116
    2     1 S   H    _HN1     2     1.02795   109.56692   -93.88769
    3     1 S   H    _H1_     3     1.02947    65.44780     7.96447
    4     1 S   H    _H2_     4     1.02827    43.38896   170.46535
    5     1 S   CT   _CA1     5     1.50129   136.70249   102.23767
    6     5 S   HC   _HA1     6     1.09575   105.15541   102.29825
    7     5 S   CO3  _C1_     7     1.53769   112.45340   -17.89214
    8     7 S   O2Z  _O11     8     1.26376   115.00608   -42.72466
    9     7 S   O2Z  _O12     9     1.26237   114.94343   136.25249
   10     5 S   CT   _CB1    10     1.53056   107.39834  -139.75099
   11    10 S   HC   HB11    11     1.09841   109.31935   -49.39313
   12    10 S   HC   HB12    12     1.09810   110.48558    67.20172
   13    10 S   CT   _CG1    13     1.53018   112.63688  -170.32476
   14    13 S   HC   HG11    14     1.09570   110.72763   -67.49853
   15    13 S   HC   HG12    15     1.09670   109.69692    51.74649
   16    13 S   C    _CD1    16     1.51816   111.98806   172.21893
   17    16 S   O    _OE1    17     1.22756   123.17699    12.35622
   18    16 S   N    _N2_    18     1.38637   111.83018  -167.61651
   19    18 S   H    _HN2    19     1.01571   119.02781     0.92620
   20    18 S   CT1  _CA2    20     1.46230   123.40774   176.61002
   21    20 S   HC   _HA2    21     1.09742   109.26208     8.33037
   22    20 S   C    _C2_    22     1.53718   109.02008  -107.19468
   23    22 S   O    _O2_    23     1.23097   122.20394  -149.90131
   24    20 S   CT   _CB2    32     1.53433   111.59409   130.34068
   25    24 S   HC   HB21    33     1.09514   109.68762    56.61120
   26    24 S   HC   HB22    34     1.09336   109.61661   175.36544
   27    22 S   N    _N3_    24     1.38302   113.94508    37.63461
   28    27 S   H    _HN3    25     1.01534   119.61742    -3.19561
   29    24 S   S    _SG2    35     1.83223   111.14297   -64.95363
   30    27 S   CT   _CA3    26     1.45276   123.29142   177.21217
   31    30 S   HC   HA31    27     1.09547   107.51663   -64.83236
   32    30 S   HC   HA32    28     1.09555   107.99435    51.62582
   33    29 S   CT   _C23    36     1.86979   101.89765   175.02937
   34    33 S   OM   _O39    37     1.32559   107.83519   -65.38128
   35    30 S   CO3  _C3_    29     1.52976   114.04303   173.63705
   36    35 S   O2Z  _O31    30     1.26384   116.08745     0.01978
   37    35 S   O2Z  _O32    31     1.26426   114.41423  -179.94065
   38    33 S   CT   _C6_    38     1.55775   112.91797    54.94522
   39    38 S   HC   _H3_    39     1.10174   108.69611   -73.14151
   40    33 S   CT   _C22    69     1.56744   107.74505   177.59401
   41    40 S   HC   _H5_    70     1.09577   109.39089   -55.12630
   42    38 S   CO4  _C7_    40     1.53025   110.91473   170.86374
   43    42 S   O    _O34    41     1.23344   120.65475   133.33012
   44    40 S   OH   _O40    71     1.43610   111.17681    61.10257
   45    44 S   HO   _H17    72     0.97436   105.93347    37.66890
   46    38 S   CO4  _C5_    75     1.53566   115.62946    45.46945
   47    46 S   O    _O33    76     1.23033   123.11764    33.03019
   48    42 S   CT   _C8_    42     1.52992   117.53575   -51.22180
   49    46 S   CT   _C4_    77     1.50865   116.38447  -150.36783
   50    49 S   HC   _H6_    78     1.09258   109.79674    57.68989
   51    49 S   HC   _H7_    79     1.09244   109.70053   -63.60879
   52    49 S   HC   _H8_    80     1.09362   109.60996   176.79387
   53    48 S   CO4  _C21    43     1.52479   112.49406   -78.49124
   54    53 S   O    _O35    44     1.23058   120.64680   -36.90157
   55    48 S   OH   _O41    73     1.43135   107.35947   168.26085
   56    55 S   HO   _H18    74     0.97413   107.61079    52.64479
   57    53 S   CA   _C20    45     1.49364   119.59798   145.69922
   58    57 S   CA   _C11    46     1.39774   118.88136     6.33843
   59    57 S   CA   _C19    57     1.41121   121.70871  -173.81163
   60    58 S   CA   _C12    47     1.40111   119.25548   178.46074
   61    60 S   HA   _H11    48     1.09017   118.62277  -178.97016
   62    59 S   OH   _O36    58     1.37531   120.76447     1.13729
   63    62 S   HO   _H14    59     0.97258   109.64488    -0.24309
   64    58 S   CT   _C10    64     1.50440   121.96416     0.63612
   65    64 S   HC   _H9_    65     1.09772   107.87358    89.61548
   66    64 S   HC   _H10    66     1.09648   110.39455  -154.52778
   67    60 S   CA   _C13    49     1.40233   121.91260     1.29588
   68    48 S   CT   _C9_    67     1.52888   110.63209    50.51445
   69    68 S   HC   _H4_    68     1.10040   108.80019    69.84380
   70    67 S   CA   _C14    50     1.40557   119.36383   179.49448
   71    70 S   HA   _H12    51     1.08840   119.99163     0.04846
   72    70 S   CA   _C15    52     1.39087   120.60470  -179.87646
   73    72 S   CA   _C16    53     1.38481   120.54873    -0.02798
   74    73 S   HA   _H13    54     1.08628   119.82909  -180.00000
   75    72 S   OH   _O38    62     1.36587   121.18279   179.96044
   76    75 S   HO   _H16    63     0.97240   108.69973    -0.10835
   77    73 S   CA   _C17    55     1.39793   119.25027    -0.03956
   78    67 S   CA   _C18    56     1.41654   120.08646    -0.46394
   79    77 S   OH   _O37    60     1.37316   117.86560  -179.91607
   80    79 S   HO   _H15    61     0.97179   109.26469    -0.18975
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  16   7  14   6  13   5   5   1   6   4  12
   3   2   1   1  12   5   5   1  13  12  10  11   4   4   1   5
   3   2   8   1   1   8   4   7   7   4   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    68    40    41    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48    64    68    69    40    41    44    45    46    47    49  
   38    39    42    68    40    41    44    46  
   36    37  
   37  
    0  
   39    42    43    48    53    68    40    41    44    55    46    47    49    50    51    52  
   42    43    48    40    46    47    49  
   41    44    45    55    46    42    48    53    58    64    65    66    68    69  
   44    45    48    64    68    69  
   43    48    53    54    57    64    68    69    55    56    46    47    49  
   48    53    68    55    46  
   45    48    64    68    69  
   68  
   47    49    50    51    52    48  
   49    50    51    52  
   53    54    57    58    59    64    65    66    68    69    55    56  
   50    51    52  
   51    52  
   52  
    0  
   54    57    58    60    78    59    62    64    68    69    55    56  
   57    58    59    68    55  
   56    57    64    68    69  
   68  
   58    60    61    67    77    78    59    62    63    64    65    66    68  
   60    61    67    70    78    59    62    64    65    66    68    69  
   62    63    79    64    60    67    70    73    77    78  
   61    67    70    71    72    77    78    64    65    66    68  
   67    70    78    64  
   63    67    77    78  
   78  
   65    66    68    69    67  
   66    68    69  
   68    69  
   70    71    72    73    77    78    79    75  
   69  
    0  
   71    72    73    74    77    78    75    76  
   72    73    78    75  
   73    74    77    78    79    75    76  
   74    77    78    79    80    75    76  
   77    78    79    75  
   76    77  
    0  
   78    79    80  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    46   317.000  1.522
   42    43   570.000  1.229
   42    48   317.000  1.522
   48    53   317.000  1.522
   48    68   268.000  1.529
   48    55   320.000  1.410
   53    54   570.000  1.229
   53    57   310.000  1.470
   57    58   469.000  1.400
   57    59   469.000  1.400
   58    60   469.000  1.400
   58    64   317.000  1.510
   60    61   367.000  1.080
   60    67   469.000  1.400
   67    70   469.000  1.400
   67    78   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   469.000  1.400
   72    75   450.000  1.364
   73    74   367.000  1.080
   73    77   469.000  1.400
   77    78   469.000  1.400
   77    79   450.000  1.364
   78    59   469.000  1.400
   59    62   450.000  1.364
   62    63   553.000  0.945
   79    80   553.000  0.945
   75    76   553.000  0.945
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   268.000  1.529
   68    69   340.000  1.090
   68    40   268.000  1.529
   40    41   340.000  1.090
   40    44   320.000  1.410
   44    45   553.000  0.945
   55    56   553.000  0.945
   46    47   570.000  1.229
   46    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    38    46    63.00000  111.10000
   33    40    68    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    50.00000  109.50000
   38    33    34    50.00000  109.50000
   38    42    43    80.00000  120.40000
   38    42    48    70.00000  116.00000
   38    46    47    80.00000  120.40000
   38    46    49    70.00000  116.00000
   42    38    39    35.00000  109.50000
   42    48    53    75.00000  107.99600
   42    48    68    63.00000  111.10000
   42    48    55    90.00000  109.61100
   48    42    43    80.00000  120.40000
   48    53    54    80.00000  120.40000
   48    53    57    65.00000  115.47100
   48    68    64    58.35000  112.70000
   48    68    69    37.50000  110.70000
   48    68    40    58.35000  112.70000
   48    55    56    55.00000  108.50000
   53    57    58    60.00000  119.52600
   53    57    59    60.00000  119.52600
   57    53    54    75.00000  123.78400
   57    58    60    63.00000  120.00000
   57    58    64    70.00000  120.00000
   57    59    78    63.00000  120.00000
   57    59    62    70.00000  120.00000
   58    60    61    35.00000  120.00000
   58    60    67    63.00000  120.00000
   58    64    65    35.00000  109.50000
   58    64    66    35.00000  109.50000
   58    64    68    70.00000  112.17500
   60    67    70    63.00000  120.00000
   60    67    78    63.00000  120.00000
   67    60    61    35.00000  120.00000
   67    70    71    35.00000  120.00000
   67    70    72    63.00000  120.00000
   67    78    77    63.00000  120.00000
   67    78    59    63.00000  120.00000
   70    72    73    63.00000  120.00000
   70    72    75    70.00000  120.00000
   72    70    71    35.00000  120.00000
   72    73    74    35.00000  120.00000
   72    73    77    63.00000  120.00000
   72    75    76    35.00000  113.00000
   73    77    78    63.00000  120.00000
   73    77    79    70.00000  120.00000
   77    73    74    35.00000  120.00000
   77    78    59    63.00000  120.00000
   77    79    80    35.00000  113.00000
   78    67    70    63.00000  120.00000
   78    59    62    70.00000  120.00000
   59    57    58    63.00000  120.00000
   59    62    63    35.00000  113.00000
   79    77    78    70.00000  120.00000
   75    72    73    70.00000  120.00000
   64    58    60    70.00000  120.00000
   64    68    69    37.50000  110.70000
   64    68    40    58.35000  112.70000
   66    64    65    33.00000  107.80000
   68    48    53    63.00000  111.10000
   68    64    65    37.50000  110.70000
   68    64    66    37.50000  110.70000
   68    40    41    37.50000  110.70000
   68    40    44    50.00000  109.50000
   40    33    34    50.00000  109.50000
   40    33    38    58.35000  112.70000
   40    68    69    37.50000  110.70000
   40    44    45    55.00000  108.50000
   44    40    41    35.00000  109.50000
   55    48    53    90.00000  109.61100
   55    48    68    50.00000  109.50000
   46    38    39    35.00000  109.50000
   46    38    42    75.00000  107.99600
   46    49    50    35.00000  109.50000
   46    49    51    35.00000  109.50000
   46    49    52    35.00000  109.50000
   49    46    47    80.00000  120.40000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    46   0.56750  1.0 1.0
   29    33    38    46  -0.07550 -1.0 2.0
   29    33    38    46   0.20000  1.0 3.0
   29    33    40    68   0.44750  1.0 1.0
   29    33    40    68  -0.17800 -1.0 2.0
   29    33    40    68   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    48   0.60050  1.0 1.0
   33    38    42    48   0.05600 -1.0 2.0
   33    38    42    48   0.26150  1.0 3.0
   33    38    46    47   0.30150 -1.0 2.0
   33    38    46    49   0.60050  1.0 1.0
   33    38    46    49   0.05600 -1.0 2.0
   33    38    46    49   0.26150  1.0 3.0
   33    40    44    45  -0.11600  1.0 1.0
   33    40    44    45  -0.09450 -1.0 2.0
   33    40    44    45   0.21250  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    42  -0.09450  1.0 1.0
   34    33    38    42  -1.12950 -1.0 2.0
   34    33    38    42   0.54000  1.0 3.0
   34    33    38    46  -0.09450  1.0 1.0
   34    33    38    46  -1.12950 -1.0 2.0
   34    33    38    46   0.54000  1.0 3.0
   34    33    40    68   0.62750  1.0 1.0
   34    33    40    68  -0.30950 -1.0 2.0
   34    33    40    68   0.27300  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   3.69350  1.0 1.0
   34    33    40    44  -1.82950 -1.0 2.0
   38    33    40    68   0.56750  1.0 1.0
   38    33    40    68  -0.07550 -1.0 2.0
   38    33    40    68   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.86500  1.0 1.0
   38    33    40    44  -0.17500 -1.0 2.0
   38    33    40    44   0.20800  1.0 3.0
   38    42    48    53   0.65300  1.0 1.0
   38    42    48    53  -0.03850 -1.0 2.0
   38    42    48    53   0.33900  1.0 3.0
   38    42   -48    68   0.60050  1.0 1.0
   38    42   -48    68   0.05600 -1.0 2.0
   38    42   -48    68   0.26150  1.0 3.0
   38    42    48    55   0.55300  1.0 1.0
   38    42    48    55   1.25850 -1.0 2.0
   38    42    48    55  -0.23600  1.0 3.0
   38    46    49    50   0.00000  1.0 1.0
   38    46    49    51   0.00000  1.0 1.0
   38    46    49    52   0.00000  1.0 1.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    48   0.00000  1.0 1.0
   39    38    46    47   0.00000  1.0 1.0
   39    38    46    49   0.00000  1.0 1.0
   42    38    46    47   0.30150 -1.0 2.0
   42    38    46    49   0.65300  1.0 1.0
   42    38    46    49  -0.03850 -1.0 2.0
   42    38    46    49   0.33900  1.0 3.0
   42    48    53    54   0.30150 -1.0 2.0
   42    48    53    57   0.65300  1.0 1.0
   42    48    53    57  -0.03850 -1.0 2.0
   42    48    53    57   0.33900  1.0 3.0
   42    48    68    64  -0.95700  1.0 1.0
   42    48    68    64  -0.18200 -1.0 2.0
   42    48    68    64   0.29450  1.0 3.0
   42    48    68    69  -0.11250  1.0 3.0
   42    48    68    40  -0.95700  1.0 1.0
   42    48    68    40  -0.18200 -1.0 2.0
   42    48    68    40   0.29450  1.0 3.0
   42    48    55    56   0.91850  1.0 1.0
   42    48    55    56   0.57950  1.0 3.0
   43    42    48    53   0.30150 -1.0 2.0
   43    42    48    68   0.30150 -1.0 2.0
   43    42    48    55   0.30150 -1.0 2.0
   48    53    57    58   2.26350  1.0 1.0
   48    53    57    58   0.76750 -1.0 2.0
   48    53    57    58   0.22500  1.0 3.0
   48    53    57    59   2.26350  1.0 1.0
   48    53    57    59   0.76750 -1.0 2.0
   48    53    57    59   0.22500  1.0 3.0
   48    68   -40    33   0.56750  1.0 1.0
   48    68   -40    33  -0.07550 -1.0 2.0
   48    68   -40    33   0.20000  1.0 3.0
   48    68    40    41   0.15000  1.0 3.0
   48    68    40    44   0.86500  1.0 1.0
   48    68    40    44  -0.17500 -1.0 2.0
   48    68    40    44   0.20800  1.0 3.0
   53    48    68    64  -0.95700  1.0 1.0
   53    48    68    64  -0.18200 -1.0 2.0
   53    48    68    64   0.29450  1.0 3.0
   53    48    68    69  -0.11250  1.0 3.0
   53    48    68    40  -0.95700  1.0 1.0
   53    48    68    40  -0.18200 -1.0 2.0
   53    48    68    40   0.29450  1.0 3.0
   53    48    55    56   0.91850  1.0 1.0
   53    48    55    56   0.57950  1.0 3.0
   53    57    58    60   3.62500 -1.0 2.0
   53    57   -58    64   3.62500 -1.0 2.0
   53    57    59    78   3.62500 -1.0 2.0
   53    57    59    62   3.62500 -1.0 2.0
   54    53    57    58   1.05000 -1.0 2.0
   54    53    57    59   1.05000 -1.0 2.0
   57    58    60    61   3.62500 -1.0 2.0
   57    58    60    67   3.62500 -1.0 2.0
   57    58    64    65   0.00000  1.0 1.0
   57    58    64    66   0.00000  1.0 1.0
   57    58    64    68   0.04150 -1.0 2.0
   57    59    62    63   0.84100 -1.0 2.0
   58    57    59    78   3.62500 -1.0 2.0
   58    57    59    62   3.62500 -1.0 2.0
   58    60    67    70   3.62500 -1.0 2.0
   58    60   -67    78   3.62500 -1.0 2.0
   58    64   -68    48  -0.03700  1.0 1.0
   58    64   -68    48   0.37200 -1.0 2.0
   58    64   -68    48  -0.47300  1.0 3.0
   58    64    68    69   0.43200  1.0 3.0
   58    64    68    40  -0.03700  1.0 1.0
   58    64    68    40   0.37200 -1.0 2.0
   58    64    68    40  -0.47300  1.0 3.0
   60    58    64    65   0.00000  1.0 1.0
   60    58    64    66   0.00000  1.0 1.0
   60    58    64    68   0.04150 -1.0 2.0
   60    67    70    71   3.62500 -1.0 2.0
   60    67    70    72   3.62500 -1.0 2.0
   60    67    78    77   3.62500 -1.0 2.0
   60    67    78    59   3.62500 -1.0 2.0
   61    60    67    70   3.62500 -1.0 2.0
   61    60    67    78   3.62500 -1.0 2.0
   67    70    72    73   3.62500 -1.0 2.0
   67    70    72    75   3.62500 -1.0 2.0
   67    78   -59    57   3.62500 -1.0 2.0
   67    78    59    62   3.62500 -1.0 2.0
   70    67    78    77   3.62500 -1.0 2.0
   70    67    78    59   3.62500 -1.0 2.0
   70    72    73    74   3.62500 -1.0 2.0
   70    72   -73    77   3.62500 -1.0 2.0
   70    72    75    76   0.84100 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    75   3.62500 -1.0 2.0
   72    73    77    78   3.62500 -1.0 2.0
   72    73    77    79   3.62500 -1.0 2.0
   73    72    75    76   0.84100 -1.0 2.0
   73    77   -78    67   3.62500 -1.0 2.0
   73    77    78    59   3.62500 -1.0 2.0
   73    77    79    80   0.84100 -1.0 2.0
   74    73    77    78   3.62500 -1.0 2.0
   74    73    77    79   3.62500 -1.0 2.0
   77    78    59    57   3.62500 -1.0 2.0
   77    78    59    62   3.62500 -1.0 2.0
   78    67    70    71   3.62500 -1.0 2.0
   78    67   -70    72   3.62500 -1.0 2.0
   78    77    79    80   0.84100 -1.0 2.0
   78    59    62    63   0.84100 -1.0 2.0
   59    57   -58    60   3.62500 -1.0 2.0
   59    57    58    64   3.62500 -1.0 2.0
   79    77    78    67   3.62500 -1.0 2.0
   79    77    78    59   3.62500 -1.0 2.0
   75    72    73    74   3.62500 -1.0 2.0
   75    72    73    77   3.62500 -1.0 2.0
   64    58    60    61   3.62500 -1.0 2.0
   64    58    60    67   3.62500 -1.0 2.0
   64    68    40    33   0.56750  1.0 1.0
   64    68    40    33  -0.07550 -1.0 2.0
   64    68    40    33   0.20000  1.0 3.0
   64    68    40    41   0.15000  1.0 3.0
   64    68    40    44   0.86500  1.0 1.0
   64    68    40    44  -0.17500 -1.0 2.0
   64    68    40    44   0.20800  1.0 3.0
   65    64    68    48   0.15000  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    40   0.15000  1.0 3.0
   66    64    68    48   0.15000  1.0 3.0
   66    64    68    69   0.15000  1.0 3.0
   66    64    68    40   0.15000  1.0 3.0
   68    48    53    54   0.30150 -1.0 2.0
   68    48   -53    57   0.05850 -1.0 2.0
   68    48   -53    57   0.17250  1.0 3.0
   68    48    55    56  -0.11600  1.0 1.0
   68    48    55    56  -0.09450 -1.0 2.0
   68    48    55    56   0.21250  1.0 3.0
   68    40    44    45  -0.11600  1.0 1.0
   68    40    44    45  -0.09450 -1.0 2.0
   68    40    44    45   0.21250  1.0 3.0
   69    68    40    33   0.15000  1.0 3.0
   69    68    40    41   0.15000  1.0 3.0
   69    68    40    44   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42  -0.95700  1.0 1.0
   40    33   -38    42  -0.18200 -1.0 2.0
   40    33   -38    42   0.29450  1.0 3.0
   40    33    38    46  -0.95700  1.0 1.0
   40    33    38    46  -0.18200 -1.0 2.0
   40    33    38    46   0.29450  1.0 3.0
   41    40    44    45   0.19450  1.0 3.0
   55    48    53    54   0.30150 -1.0 2.0
   55    48    53    57   0.65300  1.0 1.0
   55    48    53    57  -0.03850 -1.0 2.0
   55    48    53    57   0.33900  1.0 3.0
   55    48    68    64   0.86500  1.0 1.0
   55    48    68    64  -0.17500 -1.0 2.0
   55    48    68    64   0.20800  1.0 3.0
   55    48    68    69   0.23400  1.0 3.0
   55    48    68    40   0.86500  1.0 1.0
   55    48    68    40  -0.17500 -1.0 2.0
   55    48    68    40   0.20800  1.0 3.0
   46    38    42    43   0.30150 -1.0 2.0
   46    38    42    48   0.65300  1.0 1.0
   46    38    42    48  -0.03850 -1.0 2.0
   46    38    42    48   0.33900  1.0 3.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    51   0.00000  1.0 1.0
   47    46    49    52   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    48    42    43  10.50000 -1.0 2.0
   48    57    53    54  10.50000 -1.0 2.0
   58    59    57    53   4.00000 -1.0 2.0
   60    64    58    57   4.00000 -1.0 2.0
   67    61    60    58   1.10000 -1.0 2.0
   70    78    67    60   4.00000 -1.0 2.0
   72    71    70    67   1.10000 -1.0 2.0
   73    75    72    70   4.00000 -1.0 2.0
   77    74    73    72   1.10000 -1.0 2.0
   78    79    77    73   4.00000 -1.0 2.0
   77    59    78    67   4.00000 -1.0 2.0
   78    62    59    57   4.00000 -1.0 2.0
   38    49    46    47  10.50000 -1.0 2.0
END
